methyl (2S)-1-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(3,5-ditert-butyl-2-hydroxy-phenyl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3,5-ditert-butyl-2-hydroxy-benzyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CCCC2C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CCC[C@H]2C(=O)OC

InChI

InChI=1S/C21H33NO3/c1-20(2,3)15-11-14(18(23)16(12-15)21(4,5)6)13-22-10-8-9-17(22)19(24)25-7/h11-12,17,23H,8-10,13H2,1-7H3/t17-/m0/s1